5-(6-acetylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide

C20H15F3N6O3 — CID 121296833

IUPAC5-(6-acetylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide
SMILESCC(=O)c1cc(Oc2ccc3c(ccn3C(=O)Nc3cc(C(F)(F)F)n(C)n3)c2)ncn1
InChIInChI=1S/C20H15F3N6O3/c1-11(30)14-8-18(25-10-24-14)32-13-3-4-15-12(7-13)5-6-29(15)19(31)26-17-9-16(20(21,22)23)28(2)27-17/h3-10H,1-2H3,(H,26,27,31)
InChIKeyIIKKMUHAOIXRAK-UHFFFAOYSA-N
MW444.37 g/mol
LogP4.26
Rot. Bonds4

About 5-(6-acetylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide

5-(6-acetylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide (PubChem CID 121296833) has the molecular formula C20H15F3N6O3 and a molecular weight of 444.37 g/mol. Its IUPAC name is 5-(6-acetylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide.

Molecular Properties

Compound Name5-(6-acetylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide
PubChem CID121296833
Molecular FormulaC20H15F3N6O3
Molecular Weight444.37 g/mol
Exact Mass444.12
IUPAC Name5-(6-acetylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide
SMILESCC(=O)c1cc(Oc2ccc3c(ccn3C(=O)Nc3cc(C(F)(F)F)n(C)n3)c2)ncn1
InChIInChI=1S/C20H15F3N6O3/c1-11(30)14-8-18(25-10-24-14)32-13-3-4-15-12(7-13)5-6-29(15)19(31)26-17-9-16(20(21,22)23)28(2)27-17/h3-10H,1-2H3,(H,26,27,31)
InChIKeyIIKKMUHAOIXRAK-UHFFFAOYSA-N
XLogP4.26
TPSA103.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.37
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(6-acetylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide?
The IUPAC name of 5-(6-acetylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide (CID 121296833) is 5-(6-acetylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide.
What is the SMILES notation for 5-(6-acetylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide?
The canonical SMILES for 5-(6-acetylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide is CC(=O)c1cc(Oc2ccc3c(ccn3C(=O)Nc3cc(C(F)(F)F)n(C)n3)c2)ncn1.
What is the InChIKey of 5-(6-acetylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide?
The InChIKey is IIKKMUHAOIXRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N6O3/c1-11(30)14-8-18(25-10-24-14)32-13-3-4-15-12(7-13)5-6-29(15)19(31)26-17-9-16(20(21,22)23)28(2)27-17/h3-10H,1-2H3,(H,26,27,31).
What are the key properties of 5-(6-acetylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide?
5-(6-acetylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide has a molecular weight of 444.37 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-acetylpyrimidin-4-yl)oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide is sourced from PubChem (CID 121296833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).